Exact Mass: 250.078246
Exact Mass Matches: 250.078246
Found 359 metabolites which its exact mass value is equals to given mass value 250.078246,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Citrinin
Citrinin is a mycotoxin originally isolated from Penicillium citrinum. It has since been found to be produced by a variety of other fungi which are found or used in the production of human foods, such as grain, cheese, sake and red pigments. Citrinin has also been found in commercial red yeast rice supplements, and also in Aspergillus niveus and Aspergillus terreus (Hugo Vanden Bossche, D.W.R. Mackenzie and G. Cauwenbergh. Aspergillus and Aspergillosis, 1987). D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins Citrinin is a mycotoxin which causes contamination in the food and is associated with different toxic effects. Citrinin is usually found together with another nephrotoxic mycotoxin, Ochratoxin A. Citrinin is also reported to possess a broad spectrum of bioactivities, including antibacterial, antifungal, and potential anticancer and neuro-protective effects in vitro[1][2].
4,4'-Diphenylmethane diisocyanate
C15H10N2O2 (250.07422400000002)
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Olprinone
D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors > D058987 - Phosphodiesterase 3 Inhibitors C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor D020011 - Protective Agents > D002316 - Cardiotonic Agents D002317 - Cardiovascular Agents
5-Methoxycanthin-6-one
C15H10N2O2 (250.07422400000002)
5-Methoxycanthin-6-one is an alkaloid and an organic heterotetracyclic compound. 5-Methoxycanthin-6-one is a natural product found in Zanthoxylum caribaeum, Fagaropsis angolensis, and other organisms with data available. 5-Methoxycanthin-6-one is an alkaloid from the wood of Picrasma excelsa (Jamaican quassiawood
Methoxybrassitin
Isolated from Chinese cabbage (Brassica campestris sspecies pekinensis, Cruciferae) inoculated with the bacterium Pseudomonas cichorii. Methoxybrassitin is found in cauliflower, chinese cabbage, and brassicas. Methoxybrassitin is found in brassicas. Methoxybrassitin is isolated from Chinese cabbage (Brassica campestris ssp. pekinensis, Cruciferae) inoculated with the bacterium Pseudomonas cichorii.
2-Methoxycanthin-6-one
C15H10N2O2 (250.07422400000002)
2-Methoxycanthin-6-one is an alkaloid from stem wood of Quassia amara (Surinam quassia).
Samin
Samin is found in fats and oils. Samin is isolated from sesame seed oil (Sesamum sp.) Samin [ samin] is a village in the administrative district of Gmina Bartniczka, within Brodnica County, Kuyavian-Pomeranian Voivodeship, in north-central Poland. Isolated from sesame seed oil (Sesamum species)
(2R,4S)-6-Fluoro-2-methylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
Diphenylmethane-2,2'-diisocyanate
C15H10N2O2 (250.07422400000002)
6-Anilino-5,8-quinolinedione
C15H10N2O2 (250.07422400000002)
D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors
8-Hydroxy-3,4,5-trimethyl-6-oxo-4,6-dihydro-3H-isochromene-7-carboxylic acid
Dansylamide
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D003619 - Dansyl Compounds D004396 - Coloring Agents > D005456 - Fluorescent Dyes
[Diisocyanato(phenyl)methyl]benzene
C15H10N2O2 (250.07422400000002)
4,6-dihydroxy-3-methylidene-10-prop-1-enyl-2-oxaspiro[4.5]dec-8-ene-1,7-dione
9-Methoxycanthin-6-one
C15H10N2O2 (250.07422400000002)
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams 9-Methoxycanthin-6-one, a canthin-6-one alkaloid, is present in intact plant parts and in callus tissues of different explants. 9-Methoxycanthin-6-one shows anti-tumor activity[1][2]. 9-Methoxycanthin-6-one, a canthin-6-one alkaloid, is present in intact plant parts and in callus tissues of different explants. 9-Methoxycanthin-6-one shows anti-tumor activity[1][2].
2-methoxycanthin-6-one
C15H10N2O2 (250.07422400000002)
2-Mercapto-3-(3-methoxy-propyl)-3H-quinazolin-4-one
1,4-Benzodioxin-2(3H)-one, 6,8-dimethoxy-3-(1-methylethylidene)-
(E)-3-(4-acetyloxy-3,5-dimethoxyphenyl)-2-propenal|4-acetoxy-3,5-dimethoxy-trans-cinnamaldehyde|4-Acetoxy-3,5-dimethoxy-trans-zimtaldehyd
2-(3,5-Dihydroxy-6-acetyl-2,3-dihydrobenzofuran-3-yl)allyl alcohol
Di-Me ester-3-(4-Hydroxyphenyl)-2-pentenediolic acid
6H-Indolo(3,2,1-de)(1,5)naphthyridin-6-one, 10-methoxy-
C15H10N2O2 (250.07422400000002)
Drymaritin
C15H10N2O2 (250.07422400000002)
An indole alkaloid that is canthin-6-one substituted by a methoxy group at position 4. Isolated from the whole plants of Drymaria diandra, it exhibits anti-HIV activity.
3-(2-Hydroxypropyl)-8-hydroxy-6-methoxy-2H-1-benzopyran-2-one
5-hydroxymethyl-7-hydroxy-2,2-dimethyl-2H-1-chromene-6-carboxylic acid|5-Methanol-7-hydroxy-2,2-dimethyl-2H-1-chromene-6-carboxylic acid
4-(4-hydroxy-3-methoxyphenyl)-tetrahydro-3H-furo[3,4-c]furan-1-one
globosumone A
A benzoate ester obtained by the formal condensation of o-orsellinic acid with (3E)-1-hydroxypent-3-en-2-one. Isolated from Chaetomium globosum, it exhibits cytotoxic activity towards cancer cell lines.
3-acetyl-2-methyl-1,4,5-trihydroxy-2,5-epoxynaphthoquinol
8-hydroxy-7-(4-hydroxy-3-methylbutoxy)-2H-chromen-2-one|isoarmenin
(E)-6-(2,4-dihydroxyl-5-methylphenyl)-6-oxo-2-hexenoic acid
3,4-dihydro-6,8-dimethoxy-4-hydroxy-4-methyl-3-methyleneisochromen-1-one
2,6-Dihydroxy-4,5-dimethyl-3-(3-oxo-1-butenyl) benzoic acid
4,6-O-(1-carboxyethylidene)-D-galactose|4,6-O-(1-carboxyethylidene)galactose
7-acetyl-2,3,6-trihydroxy-2-methyl-3,4-dihydronaphthalen-1(2H)-one|monaspurpurone
1-Methoxycanthinone
C15H10N2O2 (250.07422400000002)
An indole alkaloid that is the 1-methoxy derivative of canthinone. Isolated from Ailanthus altissima and Leitneria floridana, it exhibits anti-HIV activity.
(3R,4R)-4-acetyl-3,6,8-trihydroxy-3-methyl-2,4-dihydronaphthalen-1-one
(2S)-7-Hydroxy-5-hydroxymethyl-2-(2-hydroxypropyl) chromone|(2S)-7-hydroxy-5-hydroxymethyl-2-(2-hydroxypropyl)chromone
8-Methoxycanthin-6-one
C15H10N2O2 (250.07422400000002)
9-methoxycanthin-6-one is an indole alkaloid that is the 9-methoxy derivative of canthin-6-one. Isolated from Eurycoma longifolia and Simaba multiflora, it exhibits cytotoxic activity towards human cancer cell lines. It has a role as a metabolite, an antineoplastic agent and an antiplasmodial drug. It is an indole alkaloid, an aromatic ether and an organic heterotetracyclic compound. It is functionally related to a canthin-6-one. 9-Methoxycanthin-6-one is a natural product found in Simarouba glauca, Eurycoma longifolia, and other organisms with data available. An indole alkaloid that is the 9-methoxy derivative of canthin-6-one. Isolated from Eurycoma longifolia and Simaba multiflora, it exhibits cytotoxic activity towards human cancer cell lines. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams 9-Methoxycanthin-6-one, a canthin-6-one alkaloid, is present in intact plant parts and in callus tissues of different explants. 9-Methoxycanthin-6-one shows anti-tumor activity[1][2]. 9-Methoxycanthin-6-one, a canthin-6-one alkaloid, is present in intact plant parts and in callus tissues of different explants. 9-Methoxycanthin-6-one shows anti-tumor activity[1][2].
Citrinin
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 11 D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins CONFIDENCE Citrinin is a mycotoxin which causes contamination in the food and is associated with different toxic effects. Citrinin is usually found together with another nephrotoxic mycotoxin, Ochratoxin A. Citrinin is also reported to possess a broad spectrum of bioactivities, including antibacterial, antifungal, and potential anticancer and neuro-protective effects in vitro[1][2].
Citrinin_120248
Citrinin is a mycotoxin which causes contamination in the food and is associated with different toxic effects. Citrinin is usually found together with another nephrotoxic mycotoxin, Ochratoxin A. Citrinin is also reported to possess a broad spectrum of bioactivities, including antibacterial, antifungal, and potential anticancer and neuro-protective effects in vitro[1][2].
8-hydroxy-3-(2-hydroxypropyl)-6-methoxychromen-2-one
2-(1,2-dihydroxy-2-phenylethyl)-3-hydroxy-2,3-dihydropyran-6-one
8-hydroxy-3-[(2S)-2-hydroxypropyl]-6-methoxyisochromen-1-one
13-methoxy-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one
C15H10N2O2 (250.07422400000002)
2-(1,2-dihydroxy-2-phenylethyl)-3-hydroxy-2,3-dihydropyran-6-one [IIN-based: Match]
3-Quinolinecarboxylic acid, 7-amino-1-ethyl-6-fluoro-1,4-dihydro-4-oxo-
LY83583
C15H10N2O2 (250.07422400000002)
D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors
5-Methoxycanthin-6-one
C15H10N2O2 (250.07422400000002)
4-(trans)-Acetyl-3,6,8-trihydroxy-3-methyldihydronaphthalenone
5-(1-Chloro-2-methylpropan-2-yl)-3-(p-tolyl)-1,2,4-oxadiazole
C13H15ClN2O (250.08728499999998)
Piperidin-4-yl-pyrimidin-2-yl-amine dihydrochloride
5-phenyl-3-propan-2-yl-1,3,5-thiadiazinane-2,4-dione
(3-(CYCLOPROPYLCARBAMOYL)-5-NITROPHENYL)BORONIC ACID
C10H11BN2O5 (250.07609860000002)
Ozagrel sodium
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D006401 - Hematologic Agents > D005343 - Fibrinolytic Agents D050299 - Fibrin Modulating Agents D002317 - Cardiovascular Agents D004791 - Enzyme Inhibitors
2-PHENYL-1,6-NAPHTHYRIDINE-3-CARBOXYLICACID
C15H10N2O2 (250.07422400000002)
Benzoic acid, 2-(1,8-naphthyridin-2-yl)- (9CI)
C15H10N2O2 (250.07422400000002)
4-Benzyloxyphenylhydrazine hydrochloride
C13H15ClN2O (250.08728499999998)
2,2,5,7-TETRAMETHYL-1-OXOINDANE-4-CARBONYL CHLORIDE
4-(3,4-dihydro-2h-1,5-benzodioxepin-7-yl)-4-oxobutanoic acid
8,9-DIHYDRO-3-PHENYL-1,2,5-OXADIAZOLO[3,4-F]CINNOLINE
N-2-Naphthylalaninamide hydrochloride (1:1)
C13H15ClN2O (250.08728499999998)
2-chloro-3-methyl-4-piperidin-4-yloxybenzonitrile
C13H15ClN2O (250.08728499999998)
2-Pyridin-2-yl-quinoline-4-carboxylic acid
C15H10N2O2 (250.07422400000002)
3-[(2-OXO-2,3-DIHYDRO-1,3-BENZOXAZOL-3-YL)METHYL]BENZONITRILE
C15H10N2O2 (250.07422400000002)
1-[4-(4-Chlorophenyl)-2-hydroxylbutyl]imidazole
C13H15ClN2O (250.08728499999998)
3-Phenylquinoxaline-5-carboxylic acid
C15H10N2O2 (250.07422400000002)
2-phenylquinoxaline-5-carboxylic acid
C15H10N2O2 (250.07422400000002)
2-Phenylquinoxaline-6-carboxylic acid
C15H10N2O2 (250.07422400000002)
2-PYRIDIN-3-YL-QUINOLINE-4-CARBOXYLIC ACID
C15H10N2O2 (250.07422400000002)
(2-BENZO[1,3]DIOXOL-5-YL-2-OXO-ETHYL)-CARBAMICACIDTERT-BUTYLESTER
C13H15ClN2O (250.08728499999998)
4-(4-Methylphenoxy)phenylhydrazine hydrochloride
C13H15ClN2O (250.08728499999998)
1-((Z)-3-Chloroallyl)-1,3,5,7-tetraazaadamantan-1-ium chloride
1-(3-CHLOROALLYL)-3,5,7-TRIAZA-1-AZONIAADAMANTANE CHLORIDE
2-N-(4-methoxyphenyl)benzene-1,2-diamine,hydrochloride
C13H15ClN2O (250.08728499999998)
o-(p-Isocyanatobenzyl)phenyl isocyanate
C15H10N2O2 (250.07422400000002)
1-(3-chloropropyl)-1,3-dihydro-3-(1-methylvinyl)-2H-benzimidazol-2-one
C13H15ClN2O (250.08728499999998)
3-phenylcinnoline-4-carboxylic acid
C15H10N2O2 (250.07422400000002)
sodium,5-butan-2-yl-5-ethyl-4,6-dioxo-1H-pyrimidine-2-thiolate
(3-(BENZYLOXY)PHENYL)HYDRAZINE HYDROCHLORIDE
C13H15ClN2O (250.08728499999998)
3-[4-(TERT-BUTYL)PHENYL]-5-(CHLOROMETHYL)-1,2,4-OXADIAZOLE
C13H15ClN2O (250.08728499999998)
[1-(4-Fluorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]acetic acid
2-phenyl-1,6-naphthyridine-4-carboxylic acid
C15H10N2O2 (250.07422400000002)
1,8-Naphthyridine-4-carboxylic acid, 2-phenyl-
C15H10N2O2 (250.07422400000002)
2-(1,6-NAPHTHYRIDIN-2-YL)BENZOIC ACID
C15H10N2O2 (250.07422400000002)
6-Chloro-5-methyl-2-piperidin-4-yl-1,3-benzoxazole
C13H15ClN2O (250.08728499999998)
6-chloro-2,3,4,4a,9,9a-hexahydro-1h-carbazole-1-carboxamide
C13H15ClN2O (250.08728499999998)
4-(cis)-Acetyl-3,6,8-trihydroxy-3-methyldihydronaphthalenone
2-(4-Pyridinyl)-4-quinolinecarboxylic acid
C15H10N2O2 (250.07422400000002)
Methyl 4-(2-aminoanilino)-2,5-dihydrothiophene-3-carboxylate
4-((4-METHOXYBENZYL)OXY)-2-METHYLENE-4-OXOBUTANOIC ACID
Polymethylene polyphenyl polyisocyanate
C15H10N2O2 (250.07422400000002)
3-AMINO-1-METHYL-5-PHENYL-1H-AZEPIN-2(3H)-ONE HYDROCHLORIDE
C13H15ClN2O (250.08728499999998)
(3-benzyloxy-phenyl)-hydrazine hydrochloride
C13H15ClN2O (250.08728499999998)
SDZ EAA 494
D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists
Spiro(4H-1-benzopyran-4,4-imidazolidine)-2,5-dione, 6-fluoro-2,3-dihydro-2-methyl-
D004791 - Enzyme Inhibitors
1H,3H-Furo[3,4-c]furan-1-ol, 4-(1,3-benzodioxol-5-yl)tetrahydro-
Midafotel
D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
Ethyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
1-(4-Fluoro-phenyl)-4-hydroxy-1H-pyrazole-3-carboxylic acid ethyl ester
(3S,4R)-8-hydroxy-3,4,5-trimethyl-6-oxo-4,6-dihydro-3H-isochromene-7-carboxylic acid
2-[(3-Fluorophenyl)methylthio]pyrimidine-4,6-diamine
Phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone
C15H10N2O2 (250.07422400000002)
(4AR,6R,7S,8R,8AS)-Hexahydro-6,7,8-trihydroxy-2-methylpyrano[3,2-D][1,3]dioxine-2-carboxylic acid
(4aR,6R,7S,8R,8aS)-6,7,8-trihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic acid
4-Amino-5-(2-amino-3-hydroxypropanoyl)peroxy-5-oxopentanoic acid
9-Methoxyeupolauridine 1-Oxide
C15H10N2O2 (250.07422400000002)
A natural product found in Ambavia gerrardii.
(r)-3,4-Dihydro-4,8-dihydroxy-6-methoxy-4,5-dimethyl-3-methyleneisochromen-1-one
A natural product found in Leptosphaeria species and Halorosellinia oceanica.
6-Quinoxalinecarboxylic acid phenyl ester
C15H10N2O2 (250.07422400000002)
(R)-3-Acetyl-7-hydroxy-5-methoxy-3,4-dimethylisobenzofuran-1(3H)-one
A natural product found in Leptosphaeria species and Halorosellinia oceanica.
(3aR,4S,6aR)-4-(4-hydroxy-3-methoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-one
7-hydroxy-3-(2-hydroxypropyl)-7-methyl-6H-2-benzopyran-6,8(7H)-dione
1-[4-(2-Chlorophenoxy)butyl]imidazole
C13H15ClN2O (250.08728499999998)
N-(4-fluorophenyl)-6-methyl-2,5-dihydropyrazolo[1,5-b][1,2,4]thiadiazol-2-amine
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(2-methylphenoxy)acetamide
2-Amino-1-methyl-6-oxo-4-phenylpyridine-3,5-dicarbonitrile
2-(2-(2-Oxo-2-(trimethylsilyloxy)ethoxy)ethoxy)acetic acid
C9H18O6Si (250.08726080000002)
4-(2,5-Dihydroxy-3,4,6-trimethylphenyl)-3-oxo-2-butenic acid
2-(Trimethylsilylthio)propionic acid trimethylsilyl ester
4,4-Diphenylmethane diisocyanate
C15H10N2O2 (250.07422400000002)
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salicifoliol
A lignan that is tetrahydro-1H,3H-furo[3,4-c]furan-1-one carrying a 4-hydroxy-3-methoxyphenyl substituent at position 4.
azanigerone E
An azaphilone that is 6H-2-benzopyran-6,8(7H)-dione carrying a 2-hydroxypropyl sunstyituent at position 3 as well as methyl and hydroxy substituents at position 7.
SIRT1-IN-2
C13H15ClN2O (250.08728499999998)
SIRT1-IN-2 (compound 3h) is a potent and selective SIRT1 (silent information regulator 1) inhibitor, with an IC50 of 1.6 μM[1].
6,8-dihydroxy-3-[(2s)-2-hydroxypropyl]-7-methylisochromen-1-one
5-hydroxy-7-(hydroxymethyl)-2,2-dimethylchromene-6-carboxylic acid
(4s)-8-hydroxy-5-(hydroxymethyl)-6-methoxy-4-methyl-3-methylidene-4h-2-benzopyran-1-one
(1s,4s,6s,8s,10s,11e,14s)-11-ethylidene-6-hydroxy-7,9,13-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,¹⁴]tetradec-2-en-12-one
2,6-dimethoxy-4-[(1e)-3-oxoprop-1-en-1-yl]phenyl acetate
(2s,4ar,6r,7r,8r,8ar)-6,7,8-trihydroxy-2-methyl-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic acid
(3s,5s,6r,10r)-6-hydroxy-3-methyl-10-[(1e)-prop-1-en-1-yl]-2-oxaspiro[4.5]dec-8-ene-1,4,7-trione
(2r,3s)-7-acetyl-2,3,6-trihydroxy-2-methyl-3,4-dihydronaphthalen-1-one
3-acetyl-7-hydroxy-5-methoxy-3,4-dimethyl-2-benzofuran-1-one
(1r,4r,6s,8r,10s,11z,14s)-11-ethylidene-6-hydroxy-7,9,13-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,¹⁴]tetradec-2-en-12-one
(3as,4r,6as)-4-(4-hydroxy-3-methoxyphenyl)-tetrahydro-3h-furo[3,4-c]furan-1-one
(2z)-3-[3-methoxy-2-(methoxycarbonyl)-5-methylphenyl]prop-2-enoic acid
(3,3-dimethyloxiran-2-yl)methyl 2h-1,3-benzodioxole-5-carboxylate
(7s,8s)-7-hydroxy-8-methoxy-3,7-dimethyl-6-oxo-8h-isochromene-5-carbaldehyde
(3ar,5r,6s,6ar)-6-hydroxy-5-[(r)-hydroxy(phenyl)methyl]-tetrahydro-3h-furo[3,2-b]furan-2-one
(6r,10r)-6-hydroxy-3-methyl-10-[(1e)-prop-1-en-1-yl]-2-oxaspiro[4.5]dec-8-ene-1,4,7-trione
methyl 3-[(3r)-8-hydroxy-1-oxo-3,4-dihydro-2-benzopyran-3-yl]propanoate
6-hydroxy-3-[(2s)-2-hydroxypropyl]-8-methoxychromen-2-one
8,9-dihydroxy-7-phenyl-2,6-dioxabicyclo[3.3.1]nonan-3-one
7,8-dihydroxy-2-(2-hydroxypropyl)-5-methylchromen-4-one
(2's)-7-hydroxy-5-hydroxymethyl-2-(2'-hydroxypropyl)chromone
{"Ingredient_id": "HBIN006790","Ingredient_name": "(2's)-7-hydroxy-5-hydroxymethyl-2-(2'-hydroxypropyl)chromone","Alias": "NA","Ingredient_formula": "C13H14O5","Ingredient_Smile": "CC(CC1=CC(=O)C2=C(O1)C=C(C=C2CO)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10204","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-methyl-canthin-2,6-dione
C15H10N2O2 (250.07422400000002)
{"Ingredient_id": "HBIN008923","Ingredient_name": "3-methyl-canthin-2,6-dione","Alias": "NA","Ingredient_formula": "C15H10N2O2","Ingredient_Smile": "CN1C2=C3C(=CC1=O)C4=CC=CC=C4N3C(=O)C=C2","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14204","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(5s,6r,7r,8r)-goniotriol
{"Ingredient_id": "HBIN011935","Ingredient_name": "(5s,6r,7r,8r)-goniotriol","Alias": "NA","Ingredient_formula": "C13H14O5","Ingredient_Smile": "C1=CC=C(C=C1)C(C(C2C(C=CC(=O)O2)O)O)O","Ingredient_weight": "250.25 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "8948","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "125950","DrugBank_id": "NA"}
(5s,6r,7s,8s)-goniotriol
{"Ingredient_id": "HBIN011941","Ingredient_name": "(5s,6r,7s,8s)-goniotriol","Alias": "NA","Ingredient_formula": "C13H14O5","Ingredient_Smile": "C1=CC=C(C=C1)C(C(C2C(C=CC(=O)O2)O)O)O","Ingredient_weight": "250.25 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "8949","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "26496963","DrugBank_id": "NA"}
(3s,4s)-4-acetyl-3,6,8-trihydroxy-3-methyl-2,4-dihydronaphthalen-1-one
5,9-dihydroxy-7-methoxy-1h,3h,3ah,9h,9ah-naphtho[2,3-c]furan-4-one
(2r,3r,3as,7s,7as)-3,7-dihydroxy-2-phenyl-hexahydrofuro[3,2-b]pyran-5-one
6,7,8-trihydroxy-2-methyl-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic acid
4,6-dihydroxy-3-methylidene-10-(prop-1-en-1-yl)-2-oxaspiro[4.5]dec-8-ene-1,7-dione
(2s)-2-hydroxy-2-[5-(methylsulfanyl)pentyl]butanedioic acid
(3as,9r,9as)-5,9-dihydroxy-7-methoxy-1h,3h,3ah,9h,9ah-naphtho[2,3-c]furan-4-one
(3s,4r)-6-hydroxy-3,4,5-trimethyl-8-oxo-3,4-dihydro-2-benzopyran-7-carboxylic acid
7-acetyl-2,3,6-trihydroxy-2-methyl-3,4-dihydronaphthalen-1-one
8-hydroxy-3-[(2s)-2-hydroxypropyl]-6-methoxychromen-2-one
6-hydroxy-3-(2-hydroxypropyl)-8-methoxychromen-2-one
1-[3,5-dihydroxy-3-(3-hydroxyprop-1-en-2-yl)-2h-1-benzofuran-6-yl]ethanone
(1r,4r,6r,8r,10r,11e,14r)-11-ethylidene-6-hydroxy-7,9,13-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,¹⁴]tetradec-2-en-12-one
(5s,6r)-6-[(1r,2r)-1,2-dihydroxy-2-phenylethyl]-5-hydroxy-5,6-dihydropyran-2-one
4,6-dihydroxy-3-methylidene-10-[(1e)-prop-1-en-1-yl]-2-oxaspiro[4.5]dec-8-ene-1,7-dione
6-hydroxy-2-methyl-5-(5-oxofuran-2-ylidene)hex-3-yn-1-yl acetate
methyl (2s)-2-[(1r)-1-hydroxy-2-phenylethyl]-4-oxooxetane-2-carboxylate
3-methoxy-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-2,5,7,9(16),10(15),11,13-heptaen-4-one
C15H10N2O2 (250.07422400000002)
2-oxopent-3-en-1-yl 2,4-dihydroxy-6-methylbenzoate
3,7-dihydroxy-2-phenyl-hexahydrofuro[3,2-b]pyran-5-one
6-(2,4-dihydroxy-5-methylphenyl)-6-oxohex-2-enoic acid
5,7-dioxa-12λ⁵-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-1(19),2(10),3,8,11,15,17-heptaen-12-ylium
2,6-dimethoxy-4-(3-oxoprop-1-en-1-yl)phenyl acetate
7-hydroxy-5-(hydroxymethyl)-2-(2-hydroxypropyl)chromen-4-one
(4r,6s,8r,10s,11e,14s)-11-ethylidene-6-hydroxy-7,9,13-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,¹⁴]tetradec-2-en-12-one
(1s,4s,6s,8s,10s,14s)-11-ethylidene-6-hydroxy-7,9,13-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,¹⁴]tetradec-2-en-12-one
(4r)-4-hydroxy-6,8-dimethoxy-4-methyl-3-methylidene-2-benzopyran-1-one
4-acetyl-8-hydroxy-6-methoxy-5-methyl-3,4-dihydro-2-benzopyran-1-one
4-hydroxy-6,8-dimethoxy-4-methyl-3-methylidene-2-benzopyran-1-one
(2e)-6-(2,4-dihydroxy-5-methylphenyl)-6-oxohex-2-enoic acid
(4r)-4,8-dihydroxy-6-methoxy-4,5-dimethyl-3-methylidene-2-benzopyran-1-one
12-methoxy-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-2-one
C15H10N2O2 (250.07422400000002)
n-[(1-methoxyindol-3-yl)methyl]methylsulfanylcarboximidic acid
(3r)-6,8-dihydroxy-7-methyl-1h-spiro[2-benzopyran-3,2'-oxolan]-4-one
1-[(1as,2s,7r,7ar)-2,3,7-trihydroxy-7a-methyl-2h,7h-naphtho[2,3-b]oxiren-1a-yl]ethanone
methyl 3-(8-hydroxy-1-oxo-3,4-dihydro-2-benzopyran-3-yl)propanoate
(2e,7e)-8-(4-methyl-2,5-dioxofuran-3-yl)octa-2,7-dienoic acid
1-[(3s)-3,5-dihydroxy-3-(3-hydroxyprop-1-en-2-yl)-2h-1-benzofuran-6-yl]ethanone
(4s)-4-acetyl-8-hydroxy-6-methoxy-5-methyl-3,4-dihydro-2-benzopyran-1-one
4-acetyl-3,6,8-trihydroxy-3-methyl-2,4-dihydronaphthalen-1-one
(3ar,5r,6s,6ar)-6-hydroxy-5-[hydroxy(phenyl)methyl]-tetrahydro-3h-furo[3,2-b]furan-2-one
6,8-dihydroxy-3-(2-hydroxypropyl)-7-methylisochromen-1-one
methyl 2-(1-hydroxy-2-phenylethyl)-4-oxooxetane-2-carboxylate
6-(1,2-dihydroxy-2-phenylethyl)-5-hydroxy-5,6-dihydropyran-2-one
6-hydroxy-1,8-dimethoxy-3-methyl-1h-isochromene-7-carbaldehyde
(1r,5s,7s,8r)-8,9-dihydroxy-7-phenyl-2,6-dioxabicyclo[3.3.1]nonan-3-one
5,7-dimethoxy-3-(propan-2-ylidene)-1,4-benzodioxin-2-one
3-[(2e)-3-carboxy-3-methylprop-2-en-1-yl]-4-methoxybenzoic acid
8-hydroxy-5-(hydroxymethyl)-6-methoxy-4-methyl-3-methylidene-4h-2-benzopyran-1-one
[(2s)-3,3-dimethyloxiran-2-yl]methyl 2h-1,3-benzodioxole-5-carboxylate
2-hydroxy-6-(3-hydroxypropanoyl)-3-methylpteridin-4-one
(11z)-11-ethylidene-6-hydroxy-7,9,13-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,¹⁴]tetradec-2-en-12-one
(6r)-6-(1,2-dihydroxy-2-phenylethyl)-5-hydroxy-5,6-dihydropyran-2-one
(3r,4r,5s)-5-(2h-1,3-benzodioxol-5-yl)-3-hydroxy-3,4-dimethyloxolan-2-one
7-hydroxy-5-(hydroxymethyl)-2-[(2s)-2-hydroxypropyl]chromen-4-one
(1r,4r,6s,8r,10s,11e,14s)-11-ethylidene-6-hydroxy-7,9,13-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,¹⁴]tetradec-2-en-12-one
(3ar,5r,6r,6as)-6-hydroxy-5-[(r)-hydroxy(phenyl)methyl]-tetrahydro-3h-furo[3,2-b]furan-2-one
(3ar,4s,6ar)-4-(4-hydroxy-3-methoxyphenyl)-tetrahydro-3h-furo[3,4-c]furan-1-one
7-hydroxy-8-methoxy-3,7-dimethyl-6-oxo-8h-isochromene-5-carbaldehyde
6,8-dimethoxy-3-(propan-2-ylidene)-1,4-benzodioxin-2-one
(4s)-4,8-dihydroxy-6-methoxy-4,5-dimethyl-3-methylidene-2-benzopyran-1-one
(1s,5r,7r,8s,9r)-8,9-dihydroxy-7-phenyl-2,6-dioxabicyclo[3.3.1]nonan-3-one
(4s,5r,6s,10s)-4,6-dihydroxy-3-methylidene-10-[(1e)-prop-1-en-1-yl]-2-oxaspiro[4.5]dec-8-ene-1,7-dione
methyl 3,4-dihydroxy-5-(3-methylbut-2-enoyl)benzoate
6-hydroxy-3-methyl-10-(prop-1-en-1-yl)-2-oxaspiro[4.5]dec-8-ene-1,4,7-trione
6-methyl-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5(16),8,10(15),11,13-hexaene-2,7-dione
C15H10N2O2 (250.07422400000002)
8-hydroxy-3-(2-hydroxypropyl)-6-methoxyisochromen-1-one
(5r)-5-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-5-methyloxolan-2-one
7-hydroxy-3-(2-hydroxypropyl)-7-methylisochromene-6,8-dione
methyl 5,7-dihydroxy-2,2-dimethylchromene-6-carboxylate
(3r,4s)-6-hydroxy-3,4,5-trimethyl-8-oxo-3,4-dihydro-2-benzopyran-7-carboxylic acid
(6-hydroxy-2,2-dimethyl-4-oxo-3h-1-benzopyran-8-yl)acetic acid
8-(4-methyl-2,5-dioxofuran-3-yl)octa-2,7-dienoic acid
(1s,5s,7s,8r,9s)-8,9-dihydroxy-7-phenyl-2,6-dioxabicyclo[3.3.1]nonan-3-one
6-methyl-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-4,7,9(16),10(15),11,13-hexaene-2,3-dione
C15H10N2O2 (250.07422400000002)
4,8-dihydroxy-6-methoxy-4,5-dimethyl-3-methylidene-2-benzopyran-1-one
(3as,5s,6r,6as)-6-hydroxy-5-[(r)-hydroxy(phenyl)methyl]-tetrahydro-3h-furo[3,2-b]furan-2-one
(2e)-5-ethoxy-3-(4-hydroxyphenyl)-5-oxopent-2-enoic acid
7,8-dihydroxy-2-[(2s)-2-hydroxypropyl]-5-methylchromen-4-one
(3r)-3-acetyl-7-hydroxy-5-methoxy-3,4-dimethyl-2-benzofuran-1-one
6-hydroxy-5-[hydroxy(phenyl)methyl]-tetrahydro-3h-furo[3,2-b]furan-2-one
7-hydroxy-5-(hydroxymethyl)-2,2-dimethylchromene-6-carboxylic acid
(5-hydroxy-7-methoxy-2-methyl-1-benzofuran-3-yl)methyl acetate
7-methoxy-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-2-one
C15H10N2O2 (250.07422400000002)
5-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-5-methyloxolan-2-one
methyl 8-hydroxy-2,2-dimethyl-4-oxo-3h-1-benzopyran-6-carboxylate
5-ethoxy-3-(4-hydroxyphenyl)-5-oxopent-2-enoic acid
12-methyl-4-methylidene-6,13,14-trioxatetracyclo[9.2.1.0³,⁷.0⁸,¹²]tetradecane-5,9-dione
2',5-dihydroxy-2'-methyl-3-methylidene-3a,4,5,6a-tetrahydrospiro[cyclopenta[b]furan-6,1'-cyclopentan]-3'-ene-2,5'-dione
3-(hydroxymethyl)-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-2-one
C15H10N2O2 (250.07422400000002)
(2r,3r,3as,7r,7as)-3,7-dihydroxy-2-phenyl-hexahydrofuro[3,2-b]pyran-5-one
11-methoxy-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-2-one
C15H10N2O2 (250.07422400000002)